2-[3-(2-oxidanylidene-3H-benzimidazol-1-yl)propylsulfanyl]-3-(3-oxidanylpropyl)quinazolin-4-one

Systemtic Name: 2-[3-(2-oxidanylidene-3H-benzimidazol-1-yl)propylsulfanyl]-3-(3-oxidanylpropyl)quinazolin-4-one Openeye Name: 3-(3-hydroxypropyl)-2-[3-(2-oxo-3H-benzimidazol-1-yl)propylsulfanyl]quinazolin-4-one CAS Name: 3-(3-hydroxypropyl)-2-[3-(2-oxo-3H-benzimidazol-1-yl)propylthio]-4-quinazolinone IUPAC Name: 3-(3-hydroxypropyl)-2-[3-(2-oxo-3H-benzimidazol-1-yl)propylsulfanyl]quinazolin-4-one Traditional Name: 3-(3-hydroxypropyl)-2-[3-(2-keto-3H-benzimidazol-1-yl)propylthio]quinazolin-4-one Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCCCN3C4=CC=CC=C4NC3=O)CCCO

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCCCN3C4=CC=CC=C4NC3=O)CCCO

InChI

InChI=1S/C21H22N4O3S/c26-13-5-11-25-19(27)15-7-1-2-8-16(15)23-21(25)29-14-6-12-24-18-10-4-3-9-17(18)22-20(24)28/h1-4,7-10,26H,5-6,11-14H2,(H,22,28)